UCSF

ZINC60856767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 8.47 -50.7 3 5 1 62 303.43 8
Lo Low (pH 4.5-6) 2.25 8.98 -88.42 4 5 2 63 304.438 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )